1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol

C11H22O4 — CID 123800024

IUPAC1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol
SMILESCOC(C1COC(C)(C)O1)C(O)C(C)C
InChIInChI=1S/C11H22O4/c1-7(2)9(12)10(13-5)8-6-14-11(3,4)15-8/h7-10,12H,6H2,1-5H3
InChIKeyGKZMQNDGWAIDIE-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.17
Rot. Bonds4

About 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol

1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol (PubChem CID 123800024) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol
PubChem CID123800024
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol
SMILESCOC(C1COC(C)(C)O1)C(O)C(C)C
InChIInChI=1S/C11H22O4/c1-7(2)9(12)10(13-5)8-6-14-11(3,4)15-8/h7-10,12H,6H2,1-5H3
InChIKeyGKZMQNDGWAIDIE-UHFFFAOYSA-N
XLogP1.17
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol (CID 123800024) is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol is COC(C1COC(C)(C)O1)C(O)C(C)C.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol?
The InChIKey is GKZMQNDGWAIDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-7(2)9(12)10(13-5)8-6-14-11(3,4)15-8/h7-10,12H,6H2,1-5H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol?
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol has a molecular weight of 218.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 123800024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).